M/Z: 497.3478
Hit 5 annotations: 1-Palmitoylglycerophosphocholine_[M+H]+
; LysoPE(18:1(9Z)/0:0)_[M+NH4]+
; LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)_[M+K]+
; Butyryl trihexyl citrate_[M+H-H2O]+
; Astemizole_[M+K]+
- Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
- Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
- Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
- Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。
Found 20 Reference Ions Near m/z 497.3478
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000020368 Reliable | 497.3433 | 497.3432 ~ 497.3434 MzDiff: 0.9 ppm |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
7.31 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000057782 Reliable | 497.3486 | 497.3485 ~ 497.3487 MzDiff: 0.9 ppm |
Butyryl trihexyl citrate (BioDeep_00000175300) Formula: C28H50O8 (514.3506) |
3.5 (64%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000061867 Reliable | 497.3425 | 497.3425 ~ 497.3425 MzDiff: 0.1 ppm |
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999) Formula: C23H39O7P (458.2433) |
4.44 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000045951 Reliable | 497.3406 | 497.3406 ~ 497.3406 MzDiff: none |
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999) Formula: C23H39O7P (458.2433) |
7.63 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000025571 Unreliable | 497.3426 | 497.3424 ~ 497.3428 MzDiff: 1.6 ppm |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
2.51 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000010649 Unavailable | 497.3433 | 497.3432 ~ 497.3433 MzDiff: 0.1 ppm |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
-2.27 (100%) | Bathymodiolus [UBERON:0009120] gill filament |
MSI_000053143 Unreliable | 497.3395 | 497.3395 ~ 497.3395 MzDiff: none |
Astemizole (BioDeep_00000001891) Formula: C28H31FN4O (458.2482) |
2.92 (100%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000009014 Unreliable | 497.3504 | 497.3504 ~ 497.3504 MzDiff: none |
1-Palmitoylglycerophosphocholine (BioDeep_00000003502) Formula: [C24H51NO7P]+ (496.3403) |
3.15 (100%) | Mus musculus [UBERON:0004645] urinary bladder urothelium |
MSI_000011924 Unavailable | 497.3433 | 497.3433 ~ 497.3433 MzDiff: 0.0 ppm |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
-0.42 (100%) | Bathymodiolus [UBERON:2000211] gill lamella |
MSI_000058541 Unreliable | 497.3433 | 497.3431 ~ 497.3434 MzDiff: 1.1 ppm |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
1.3 (50%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000000494 Unavailable | 497.3504 | 497.3504 ~ 497.3504 MzDiff: none |
1-Palmitoylglycerophosphocholine (BioDeep_00000003502) Formula: [C24H51NO7P]+ (496.3403) |
-0.28 (100%) | Mus musculus [CL:0000066] epithelial cell |
MSI_000003930 Unreliable | 497.3427 | 497.3427 ~ 497.3427 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
1.32 (100%) | Homo sapiens [UBERON:0002107] liver |
MSI_000025725 Unreliable | 497.3478 | 497.3478 ~ 497.3478 MzDiff: none |
Not Annotated | 2.15 (0%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000028034 Unreliable | 497.3433 | 497.3433 ~ 497.3433 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
1.81 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000044443 Unavailable | 497.3431 | 497.3431 ~ 497.3431 MzDiff: none |
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999) Formula: C23H39O7P (458.2433) |
-0.25 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000049782 Unreliable | 497.343 | 497.343 ~ 497.343 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
1.56 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000051085 Unreliable | 497.343 | 497.343 ~ 497.343 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
0.08 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
MSI_000057129 Unreliable | 497.3444 | 497.3444 ~ 497.3444 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
1.37 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000059902 Unavailable | 497.3431 | 497.3431 ~ 497.3431 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
-0.69 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060738 Unavailable | 497.3431 | 497.3431 ~ 497.3431 MzDiff: none |
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096) Formula: C23H46NO7P (479.3012) |
-0.46 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
Found 24 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
1-Palmitoylglycerophosphocholine Formula: [C24H51NO7P]+ (496.3403) Adducts: [M+H]+ (Ppm: 5.7) |
Mus musculus (Urinary bladder) |
HR2MSI_mouse_urinary_bladder - S096Resolution: 10μm, 260x134
Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset) |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.7) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_46Resolution: 17μm, 298x106
|
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.9) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_47Resolution: 17μm, 301x111
|
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.9) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito01_04Resolution: 17μm, 178x91
|
|
m/z_497.3478 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin.
Fig 1-3, Fig S1-S3, S5 |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 15.3) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 15.3) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
Fig 6c
Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 15.7) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and
U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion
images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079
([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green).
Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.7) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b)
[PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9-
choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in
parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in
white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar
regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids
PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using
total ion current normalisation and hotspot removal (high quantile = 99%). |
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 16.7) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 18.9) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
Butyryl trihexyl citrate Formula: C28H50O8 (514.3506) Adducts: [M+H-H2O]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 17.7) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 1) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium.
[dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671. |
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+K]+ (Ppm: 12.9) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024). |
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.1) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 14.9) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
Butyryl trihexyl citrate Formula: C28H50O8 (514.3506) Adducts: [M+H-H2O]+ (Ppm: 2.7) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 16.9) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 15.9) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) Formula: C23H39O7P (458.2433) Adducts: [M+K]+ (Ppm: 18.9) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
Butyryl trihexyl citrate Formula: C28H50O8 (514.3506) Adducts: [M+H-H2O]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.3) |
Mus musculus (brain) |
Brain01_Bregma-3-88b_centroidResolution: 17μm, 265x320
|
|
LysoPE(18:1(9Z)/0:0) Formula: C23H46NO7P (479.3012) Adducts: [M+NH4]+ (Ppm: 16.1) |
Drosophila melanogaster (brain) |
Drosophila18Resolution: 5μm, 686x685
Sample information
Organism: Drosophila melanogaster
Organism part: Brain
Condition: Healthy
Sample preparation
Sample stabilisation: Frozen
Tissue modification: Frozen
MALDI matrix: 2,5-dihydroxybenzoic acid (DHB)
MALDI matrix application: TM sprayer
Solvent: Aceton/water
MS analysis
Polarity: Positive
Ionisation source: Prototype
Analyzer: Orbitrap
Pixel size: 5μm × 5μm
Annotation settings
m/z tolerance (ppm): 3
Analysis version: Original MSM
Pixel count: 469910
Imzml file size: 696.23 MB
Ibd file size: 814.11 MB |
|